scholarly journals Mosquito larvicidal activity of pyrrolidine-2,4-dione derivatives: An investigation against Culex quinquefasciatus and molecular docking studies

2021 ◽  
Author(s):  
Mohammed Al-Zharani ◽  
Mohammed S. Al-Eissa ◽  
Hassan A. Rudayni ◽  
Daoud ali ◽  
Saud alarifi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Larvicidal Activity ◽  
Culex Quinquefasciatus ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Mosquito Larvicidal Activity

scholarly journals Larvicidal and Oviposition Activity of Against Vector Aedes Aegypti and Molecular Docking Studies of Metabolites from the Crude Extract of the Endophytic Fungus Aspergillus Sp. Isolated from Bertholletia Excelsa Humn. & Bonpl.

2021 ◽  
Author(s):  
Inana F. Araújo ◽  
Victor Hugo Marinho ◽  
Iracirema S Sena ◽  
Jhone Curti ◽  
Ryan S. Ramos ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Aedes Aegypti ◽  
Larvicidal Activity ◽  
Crude Extract ◽  
Endophytic Fungus ◽  
Docking Studies ◽  
Resistant Bacteria ◽  
Bertholletia Excelsa ◽  
Molecular Docking Studies ◽  
Biological Potential

Abstract This work showed the crude extract of the endophytic fungus Aspergillus sp, isolated from the almonds of Bertholletia excelsa Humn & Bonlp collected in the Brazilian Amazon, oviposition deterrent, and larvicidal activity of against Aedes aegypti. In the oviposition deterrence test was observed that females able to lay eggs preferred the control oviposition sites (46.6%), suggesting the extract also could repel the oviposition. Futhermore, the extract showed larvicidal activity with LC50 26.86 µg/mL at 24 hours and 18.75 µg/mL at 48 hours. Molecular docking studies were carried out to elucidate the mechanism of action of the compounds identified against the enzyme acetylcholinesterase. The compound Aspergillol B was a potent larvicide with potential for inhibition for the acetylcholinesterase enzyme (-7.74 Kcal/mol). These unprecedented results reported indicate that the secondary metabolites obtained from crude extract of Aspergillus sp. present useful biological potential against vectors of public health importance and antibiotic-resistant bacteria.

scholarly journals Larvicidal Activity and Molecular Docking Studies of Vitexicarpin from Vitex negundo Linn

2021 ◽  
Vol 13 (3) ◽  
pp. 223-228
Author(s):  
Sandhya Sandhya K ◽  
Sivakumar Sivakumar M ◽  
Vijayakumar Vijayakumar AR
Keyword(s):  
Molecular Docking ◽  
Larvicidal Activity ◽  
Docking Studies ◽  
Vitex Negundo ◽  
Molecular Docking Studies

scholarly journals Larvicidal activity of novel anthraquinone analogues and their molecular docking studies

2021 ◽  
Vol 28 (1) ◽  
pp. 157-162
Author(s):  
Keerthana Selvaraj ◽  
Daoud Ali ◽  
Saud Alarifi ◽  
Sathish Kumar Chidambaram ◽  
Surendrakumar Radhakrishnan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Larvicidal Activity ◽  
Docking Studies ◽  
Molecular Docking Studies

scholarly journals Synthesis, molecular docking studies, and larvicidal activity evaluation of new fluorinated neonicotinoids against Anopheles darlingi larvae

PLoS ONE ◽  
2020 ◽  
Vol 15 (2) ◽  
pp. e0227811
Author(s):  
Rochelly da Silva Mesquita ◽  
Andrii Kyrylchuk ◽  
Iryna Grafova ◽  
Denys Kliukovskyi ◽  
Andriy Bezdudnyy ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Larvicidal Activity ◽  
Docking Studies ◽  
Anopheles Darlingi ◽  
Molecular Docking Studies ◽  
Activity Evaluation

Homology Modeling of Mus Musculus CDK5 and Molecular Docking Studies with Flavonoids

2017 ◽  
Vol 9 (6) ◽  
Author(s):  
Sowmya Suri ◽  
Rumana Waseem ◽  
Seshagiri Bandi ◽  
Sania Shaik
Keyword(s):  
Molecular Docking ◽  
3D Model ◽  
Structural Features ◽  
Docking Studies ◽  
Amino Acid Residues ◽  
Cyclin Dependent Kinase ◽  
Ligand Complex ◽  
Ligand Interaction ◽  
Molecular Docking Studies ◽  
Cyclin Dependent Kinase 5

A 3D model of Cyclin-dependent kinase 5 (CDK5) (Accession Number: Q543f6) is generated based on crystal structure of P. falciparum PFPK5-indirubin-5-sulphonate ligand complex (PDB ID: 1V0O) at 2.30 Å resolution was used as template. Protein-ligand interaction studies were performed with flavonoids to explore structural features and binding mechanism of flavonoids as CDK5 (Cyclin-dependent kinase 5) inhibitors. The modelled structure was selected on the basis of least modeler objective function. The model was validated by PROCHECK. The predicted 3D model is reliable with 93.0% of amino acid residues in core region of the Ramachandran plot. Molecular docking studies with flavonoids viz., Diosmetin, Eriodictyol, Fortuneletin, Apigenin, Ayanin, Baicalein, Chrysoeriol and Chrysosplenol-D with modelled protein indicate that Diosmetin is the best inhibitor containing docking score of -8.23 kcal/mol. Cys83, Lys89, Asp84. The compound Diosmetin shows interactions with Cys83, Lys89, and Asp84.

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